Vitas-M small molecule compound

2,2'-(1-phenylprop-1-yne-3,3-diyl)bis(3-hydroxycyclohex-2-en-1-one)

Catalog ID
STK095014
SMILES OC1=C(C(=O)CCC1)C(C1=C(O)CCCC1=O)C#Cc1ccccc1

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C21H20O4 MW 336.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20O4/c22-16-8-4-9-17(23)20(16)15(13-12-14-6-2-1-3-7-14)21-18(24)10-5-11-19(21)25/h1-3,6-7,15,22,24H,4-5,8-11H2
InChIKey
DZFUFQLTAAOJHG-UHFFFAOYSA-N
Synonyms

22(1PHENYLPROP1YNE33DIYL)BIS(3HYDROXYCYCLOHEX2EN1ONE)
3hydroxy2(1(2hydroxy6oxocyclohexen1yl)3phenylprop2ynyl)cyclohex2en1one
3HYDROXY2(1(6HYDROXY2OXOCYCLOHEX1(6)ENYL)3PHENYLPROP2YNYL)CYCLOHEX2EN1ONE
C1CC(=C(C(=O)C1)C(C#CC2=CC=CC=C2)C3=C(CCCC3=O)O)O
InChI=1SC21H20O4c221684917(23)20(16)15(1312146213714)2118(24)1051119(21)25h1367152224H45811H2
MFCD00557351
OC1=C(C(=O)CCC1)C(C1=C(O)CCCC1=O)C#Cc1ccccc1
STK095014
ZINC000100112683
ZINC100112683

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Available files

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